N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Chemical Structure Depiction of
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Compound characteristics
| Compound ID: | Y042-6865 |
| Compound Name: | N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C23 H21 N5 O4 |
| Smiles: | CN1C(c2ccccc2C(CC(Nc2ccc3c(c2)C(N2CCC[C@H]2C(N3)=O)=O)=O)=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0264 |
| logD: | 0.9467 |
| logSw: | -2.1915 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.008 |
| InChI Key: | JOGKOTKKQPUYFV-IBGZPJMESA-N |